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Structure
Article
License: Elsevier Non-Commercial
Data sources: UnpayWall
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Structure
Article . 2015
License: Elsevier Non-Commercial
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Structure
Article . 2015 . Peer-reviewed
License: Elsevier Non-Commercial
Data sources: Crossref
Structure
Article . 2016
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Tertiary Structural Propensities Reveal Fundamental Sequence/Structure Relationships

Authors: Zheng, Fan; Zhang, Jian; Grigoryan, Gevorg;

Tertiary Structural Propensities Reveal Fundamental Sequence/Structure Relationships

Abstract

Extracting useful generalizations from the continually growing Protein Data Bank (PDB) is of central importance. We hypothesize that the PDB contains valuable quantitative information on the level of local tertiary structural motifs (TERMs). We show that by breaking a protein structure into its constituent TERMs, and querying the PDB to characterize the natural ensemble matching each, we can estimate the compatibility of the structure with a given amino acid sequence through a metric we term "structure score." Considering submissions from recent Critical Assessment of Structure Prediction (CASP) experiments, we found a strong correlation (R = 0.69) between structure score and model accuracy, with poorly predicted regions readily identifiable. This performance exceeds that of leading atomistic statistical energy functions. Furthermore, TERM-based analysis of two prototypical multi-state proteins rapidly produced structural insights fully consistent with prior extensive experimental studies. We thus find that TERM-based analysis should have considerable utility for protein structural biology.

Related Organizations
Keywords

Models, Molecular, Models, Statistical, Structural Biology, Sequence Analysis, Protein, Computational Biology, Proteins, Databases, Protein, Molecular Biology, Protein Structure, Tertiary

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    popularity
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    influence
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
28
Top 10%
Top 10%
Top 10%
hybrid